CID 766535

3-[(4-methoxyphenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C14H13NO5S
SMILES
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C14H13NO5S/c1-20-12-7-5-11(6-8-12)15-21(18,19)13-4-2-3-10(9-13)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKey
LHWPHUNFEGTNIZ-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

307.05145 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.058726 165.7
[M+Na]+ 330.040668 172.9
[M-H]- 306.044174 171.5
[M+NH4]+ 325.085273 179.5
[M+K]+ 346.014608 169.3
[M+H-H2O]+ 290.048710 158.3
[M+HCOO]- 352.049651 183.3
[M+CH3COO]- 366.065301 200.0
[M+Na-2H]- 328.026116 169.8
[M]+ 307.05090142 169.0
[M]- 307.05199858 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.